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SMILES: Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O

InChI Key: InChIKey=IHJCXVZDYSXXFT-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 133 hits for monomerid = 10867   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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75n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse, CNR, Via Pietro Castellino 111, Napoli, Italy; Università degliStudi di Firenze, Dipartimento Di Chimica, Laboratorio di Chimica Bioinorganica, Polo Scientifico,

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...


Bioorg Med Chem 25: 3555-3561 (2017)


Article DOI: 10.1016/j.bmc.2017.05.007
BindingDB Entry DOI: 10.7270/Q20Z75PZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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75n/an/an/an/an/an/an/an/a



CNR

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 4184-90 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.060
BindingDB Entry DOI: 10.7270/Q2H70K9R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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75n/an/an/an/an/an/an/an/a



CNR

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 4184-90 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.060
BindingDB Entry DOI: 10.7270/Q2H70K9R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Sulfurihydrogenibium sp. (strain YO3AOP1))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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87n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Methanosarcina thermophila)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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120n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila


Bioorg Med Chem Lett 14: 6001-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.085
BindingDB Entry DOI: 10.7270/Q23X87D5
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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159n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine CA4


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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159n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


BindingDB Entry DOI: 10.7270/Q2668GC9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase isozyme IV isolated from bovine lung microsomes, by esterase assay method.


Bioorg Med Chem Lett 13: 1005-9 (2003)


BindingDB Entry DOI: 10.7270/Q2PV6KXV
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Bioorg Med Chem Lett 11: 575-82 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (bCAIV)


Bioorg Med Chem Lett 15: 1149-54 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.009
BindingDB Entry DOI: 10.7270/Q2JS9R6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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160n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 43: 292-300 (2000)


BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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169n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay


Bioorg Med Chem 17: 1158-63 (2009)


Article DOI: 10.1016/j.bmc.2008.12.035
BindingDB Entry DOI: 10.7270/Q2FB53WW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Ki value against human carbonic anhydrase VII


Bioorg Med Chem Lett 15: 971-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.052
BindingDB Entry DOI: 10.7270/Q25H7H1N
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Stylophora pistillata)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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295n/an/an/an/an/an/an/an/a



MC-98000 Princ

Curated by ChEMBL


Assay Description
Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay


Bioorg Med Chem 17: 5054-8 (2009)


Article DOI: 10.1016/j.bmc.2009.05.063
BindingDB Entry DOI: 10.7270/Q2FJ2HQJ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Stylophora pistillata)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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295n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Cryptococcus neoformans var. grubii (Filobasidiell...)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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300n/an/an/an/an/an/an/an/a



Universite degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 17: 4503-9 (2009)


Article DOI: 10.1016/j.bmc.2009.05.002
BindingDB Entry DOI: 10.7270/Q24X564B
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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380n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IV (hCAIV)


Bioorg Med Chem Lett 15: 1149-54 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.009
BindingDB Entry DOI: 10.7270/Q2JS9R6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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570n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay


Bioorg Med Chem Lett 15: 3828-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.055
BindingDB Entry DOI: 10.7270/Q2C82B2K
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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608n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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608n/an/an/an/an/an/an/an/a



University of Tampere



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 52: 646-54 (2009)


Article DOI: 10.1021/jm801267c
BindingDB Entry DOI: 10.7270/Q29W0CS7
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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608n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA VI


J Med Chem 50: 381-8 (2007)


Article DOI: 10.1021/jm0612057
BindingDB Entry DOI: 10.7270/Q29G5NNH
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Methanosarcina thermophila)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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610n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcina thermophila


Bioorg Med Chem Lett 14: 6001-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.085
BindingDB Entry DOI: 10.7270/Q23X87D5
More data for this
Ligand-Target Pair
Delta carbonic anhydrase


(Thalassiosira weissflogii)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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662n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 24: 275-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.021
BindingDB Entry DOI: 10.7270/Q2TM7CK3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Anopheles gambiae)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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756n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Anopheles gambiae carbonic anhydrase pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2303-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.081
BindingDB Entry DOI: 10.7270/Q2TX3H2M
More data for this
Ligand-Target Pair
Carbonic anhydrase 15 [19-324]


(Mus musculus (mouse))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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757 -8.20n/an/an/an/an/a7.520



University of Tampere



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 52: 646-54 (2009)


Article DOI: 10.1021/jm801267c
BindingDB Entry DOI: 10.7270/Q29W0CS7
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Astrosclera willeyana)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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820n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration...


Bioorg Med Chem 20: 1403-10 (2012)


Article DOI: 10.1016/j.bmc.2012.01.007
BindingDB Entry DOI: 10.7270/Q2VH5P89
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Stylophora pistillata)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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PubMed
840n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida albicans (Yeast))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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874 -8.12n/an/an/an/an/a8.320



Universite degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 17: 4503-9 (2009)


Article DOI: 10.1016/j.bmc.2009.05.002
BindingDB Entry DOI: 10.7270/Q24X564B
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase 1


(Mycobacterium tuberculosis)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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1.72E+3 -7.73n/an/an/an/an/a8.320



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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PubMed
4.17E+3n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 7860-6 (2005)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q2902200
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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PubMed
6.21E+3n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 7860-6 (2005)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q2902200
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 4184-90 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.060
BindingDB Entry DOI: 10.7270/Q2H70K9R
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3 -6.92n/an/an/an/an/a7.525



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 2939-46 (2014)


Article DOI: 10.1016/j.bmc.2014.04.006
BindingDB Entry DOI: 10.7270/Q2WW7K7G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I (CA1)


J Med Chem 43: 292-300 (2000)


BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 526-31 (2015)


Article DOI: 10.1016/j.bmc.2014.12.009
BindingDB Entry DOI: 10.7270/Q20K2B62
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



Universit£ degliStudi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay


Bioorg Med Chem 23: 1728-34 (2015)


Article DOI: 10.1016/j.bmc.2015.02.045
BindingDB Entry DOI: 10.7270/Q22R3T9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 4184-90 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.060
BindingDB Entry DOI: 10.7270/Q2H70K9R
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA1


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse, CNR, Via Pietro Castellino 111, Napoli, Italy; Università degliStudi di Firenze, Dipartimento Di Chimica, Laboratorio di Chimica Bioinorganica, Polo Scientifico,

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...


Bioorg Med Chem 25: 3555-3561 (2017)


Article DOI: 10.1016/j.bmc.2017.05.007
BindingDB Entry DOI: 10.7270/Q20Z75PZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...


Bioorg Med Chem Lett 27: 490-495 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.035
BindingDB Entry DOI: 10.7270/Q2PN97XS
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 17: 1158-63 (2009)


Article DOI: 10.1016/j.bmc.2008.12.035
BindingDB Entry DOI: 10.7270/Q2FB53WW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



MC-98000 Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 assay


Bioorg Med Chem 17: 5054-8 (2009)


Article DOI: 10.1016/j.bmc.2009.05.063
BindingDB Entry DOI: 10.7270/Q2FJ2HQJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I (CAI)


Bioorg Med Chem Lett 13: 447-53 (2003)


BindingDB Entry DOI: 10.7270/Q2668GC9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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8.40E+3n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay


J Med Chem 56: 1761-71 (2013)


Article DOI: 10.1021/jm4000616
BindingDB Entry DOI: 10.7270/Q2CF9RFV
More data for this
Ligand-Target Pair
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